论文标题

磁性第二声音的第一原理视角

First-principles perspective on magnetic second sound

论文作者

Buczek, Paweł, Buczek, Nadine, Vignale, Giovanni, Ernst, Arthur

论文摘要

理论上研究了磁性参数或纵向自旋激发的波动,或在铁磁Fe和Ni中以及pnictide超导体fese的抗磁性阶段进行了研究。这些系统的电荷和自旋动力学是通过评估从绝热局部旋转密度近似中的第一原理响应时间依赖性密度功能理论计算得出的广义电荷和自旋密度响应函数来描述的。我们观察到,正式的非相互作用的Kohn-Sham系统具有纵向通道中的磁化和电荷动力学之间的强耦合,并且在将库仑相互作用纳入电荷通道和产生的等离子体的外观后,有效地除去了耦合。纵向自旋波动获得了一个集体特征,而无需戈德石玻色子出现,类似于PD等非磁性金属中的帕拉格诺激发案例。在铁磁Fe和ni中,纵向自旋动力学受低能量内电子孔对之间的相互作用,而在准二维抗fiferromagnet FESE中,它由交换序列级别的能量的频带过渡主导。在后来的材料中,集体纵向磁化的波动具有良好的能量和长寿命的小动量,并出现在粒子孔连续体下方。对于生长的波形向量,这些模式被强烈阻尼。我们将理论发现与现有的实验性自旋偏振电子损失光谱结果相关联。在散装BCC FE中,纵向磁模式出现在横向自旋波的典型能量上方,具有与石膏自旋flip激发连续性相当的能量,并且比电荷动力学的能量级较小。

The fluctuations of the magnetic order parameter, or longitudinal spin excitations, are investigated theoretically in the ferromagnetic Fe and Ni as well as in the antiferromagnetic phase of the pnictide superconductor FeSe. The charge and spin dynamics of these systems is described by evaluating the generalized charge and spin density response function calculated from first-principles linear response time dependent density functional theory within adiabatic local spin density approximation. We observe that the formally non-interacting Kohn-Sham system features strong coupling between the magnetization and charge dynamics in the longitudinal channel and that the coupling is effectively removed upon the inclusion of the Coulomb interaction in the charge channel and the resulting appearance of plasmons. The longitudinal spin fluctuations acquire a collective character without the emergence of the Goldstone boson, similar to the case of paramagnon excitations in non-magnetic metals like Pd. In ferromagnetic Fe and Ni the longitudinal spin dynamics is governed by interactions between low-energy intraband electron-hole pairs while in quasi two dimensional antiferromagnet FeSe it is dominated by the interband transitions with energies of the order of exchange splitting. In the later material, the collective longitudinal magnetization fluctuations feature well defined energies and long life times for small momenta and appear below the particle-hole continuum. The modes become strongly Landau-damped for growing wave-vectors. We relate our theoretical findings to existing experimental spin-polarized electron energy loss spectroscopy results. In bulk bcc Fe, the longitudinal magnetic modes appear above the typical energies of transverse spin-waves, have energies comparable with the Stoner spin-flip excitation continuum, and are order of magnitude less energetic than the charge dynamics.

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